SCHEMBL6865289

SCHEMBL6865289

O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCNCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.78
HRH3 Q9Y5N1 1/20 0.78
DRD3 P35462 12/20 0.68
DRD2 P14416 7/20 0.68
HRH1 P35367 1/20 0.65
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ADRB1 P08588 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2C P18825 1/20 0.63
HTR2B P41595 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
SIGMAR1 Q99720 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL602187 0.89 HRH4 (0.74) HRH4HRH3DRD3DRD2HRH1
SCHEMBL2679610 0.88 HRH4 (1.00) HRH4HRH3DRD3DRD2POLB
SCHEMBL29699763 0.88 HRH4 (1.00) HRH4HRH3DRD3DRD2POLB
SCHEMBL605555 0.84 HRH4 (0.77) HRH4DRD3DRD2HRH1ADRB1
SCHEMBL605483 0.84 HRH4 (1.00) HRH4HRH3DRD3DRD2HRH1
SCHEMBL22615143 0.83 HRH4 (0.89) HRH4HRH3POLBSMN1; SMN2
SCHEMBL603454 0.83 HRH4 (1.00) HRH4HRH3DRD3DRD2HRH1
SCHEMBL602069 0.83 HRH4 (0.76) HRH4DRD3DRD2HRH1ADRB1
SCHEMBL6383382 0.83 HRH4 (0.72) HRH4DRD3DRD2HRH1ADRB1
SCHEMBL28929913 0.83 HRH4 (0.73) HRH4HRH3DRD3DRD2HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803362-B2 ANTIHISTAMINES SUCH AS (5-CHLORO-1H-INDOL-2-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC OR BRONCHODILATOR AGENTS AND/OR IMMUNOLOGY MODULATORS ORTHO-MCNEIL PHARMACEUTICAL INC. 2004-10-12 US disclosed
US-20030207893-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207893-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HRH4 1508/4885HRH3 3119/4885DRD3 999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.